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- ReEvo: Large Language Models as Hyper-Heuristics with Reflective Evolution(arXiv)
Author : Zachary Porreca
Abstract : Gradient-based solvers risk convergence to local optima, leading to incorrect researcher inference. Heuristic-based algorithms are able to “break free” of these local optima to eventually converge to the true global optimum. However, given that they do not provide the gradient/Hessian needed to approximate the covariance matrix and that the significantly longer computational time they require for convergence likely precludes resampling procedures for inference, researchers often are unable to quantify uncertainty in the estimates they derive with these methods. This note presents a simple and relatively fast two-step procedure to estimate the covariance matrix for parameters estimated with these algorithms. This procedure relies on automatic differentiation, a computational means of calculating derivatives that is popular in machine learning applications. A brief empirical example demonstrates the advantages of this procedure relative to bootstrapping and shows the similarity in standard error estimates between this procedure and that which would normally accompany maximum likelihood estimation with a gradient-based algorithm.
2. Comparing Classical and Quantum Ground State Preparation Heuristics(arXiv)
Author : Katerina Gratsea, Jakob S. Kottmann, Peter D. Johnson, Alexander A. Kunitsa
Abstract : One promising field of quantum computation is the simulation of quantum systems, and specifically, the task of ground state energy estimation (GSEE). Ground state preparation (GSP) is a crucial component in GSEE algorithms, and classical methods like Hartree-Fock state preparation are commonly used. However, the efficiency of such classical methods diminishes exponentially with increasing system size in certain cases. In this study, we investigated whether in those cases quantum heuristic GSP methods could improve the overlap values compared to Hartree-Fock. Moreover, we carefully studied the performance gain for GSEE algorithms by exploring the trade-off between the overlap improvement and the associated resource cost in terms of T-gates of the GSP algorithm. Our findings indicate that quantum heuristic GSP can accelerate GSEE tasks, already for computationally affordable strongly-correlated systems of intermediate size. These results suggest that quantum heuristic GSP has the potential to significantly reduce the runtime requirements of GSEE algorithms, thereby enhancing their suitability for implementation on quantum hardware